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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid , (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid , (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-3-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
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| Smiles: |
OC(=O)[C@@]1(C)[C@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C
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| InChi : |
InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
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| InChi Key : |
InChIKey=BZXULBWGROURAF-IKNLXHIFSA-N
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| PubChem ID : |
637234
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.053170
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
3.010
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| XLogP : |
10.536
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VDW volume : |
486.751467
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| Molecular weight : |
456.360345
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HOMO-LUMO gap : |
10.063000
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| Herb list : |
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| Refrences & Litretures: |
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