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Substance Name: Clerodendrin B
RN: 39877-08-2
InChIKey: QJRGPOZOQFQNIW-ARLQUCBXSA-N

Molecular Formula

  • C31-H44-O12

Molecular Weight

  • 608.6766
 
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Names and Synonyms

Results Name

  • Clerodendrin B

Systematic Name

  • Caryoptinol, 2-hydroxy-, 3-(2-(acetyloxy)-2-methylbutanoate), (2alpha,3beta(R))-

Registry Numbers

CAS Registry Number

  • 39877-08-2

System Generated Number

  • 0039877082

Structure Descriptors

InChI

1S/C31H44O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-10,16,20-26,35H,8,11-15H2,1-7H3/t16-,20+,21+,22?,23-,24-,25-,26-,28+,29-,30-,31+/m0/s1

InChIKey

QJRGPOZOQFQNIW-ARLQUCBXSA-N

Smiles

CC[C@](C)(C(=O)O[C@H]1[C@@H](CC2[C@@]([C@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)[C@@H]4C[C@H]5C=CO[C@H]5O4)O)OC(=O)C